Information card for entry 2213120

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-1-methyl-4-(4-pyridyl)quinolin-2(1<i>H</i>)-one
• Formula: C21 H15 F N2 O
• Calculated formula: C21 H15 F N2 O
• SMILES: c1(c(=O)n(c2ccccc2c1c1ccncc1)C)c1ccc(cc1)F
• Title of publication: 3-(4-Fluorophenyl)-1-methyl-4-(4-pyridyl)quinolin-2(1<i>H</i>)-one
• Authors of publication: Peifer, Christian; Schollmeyer, Dieter; Kinkel, Katrin; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2457 - o2459
• a: 9.3217 ± 0.0006 Å
• b: 18.1539 ± 0.0011 Å
• c: 9.9297 ± 0.0007 Å
• α: 90°
• β: 105.259 ± 0.004°
• γ: 90°
• Cell volume: 1621.12 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No